N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

C16H29N3 — CID 142386288

IUPACN-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESCCN1CC(N(C)CCN(C)C2=CC=C(C)CC2)C1
InChIInChI=1S/C16H29N3/c1-5-19-12-16(13-19)18(4)11-10-17(3)15-8-6-14(2)7-9-15/h6,8,16H,5,7,9-13H2,1-4H3
InChIKeyBWPZBXRHNRXONW-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.18
Rot. Bonds6

About N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (PubChem CID 142386288) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
PubChem CID142386288
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESCCN1CC(N(C)CCN(C)C2=CC=C(C)CC2)C1
InChIInChI=1S/C16H29N3/c1-5-19-12-16(13-19)18(4)11-10-17(3)15-8-6-14(2)7-9-15/h6,8,16H,5,7,9-13H2,1-4H3
InChIKeyBWPZBXRHNRXONW-UHFFFAOYSA-N
XLogP2.18
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Tert-butylazetidin-3-yl)-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142022935
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine
CID 157256737
1-Methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine
CID 59371108
1-Methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 59371110
1,2-Dimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 68344064
N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 88991198
1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine
CID 90845625
1-[4-[(4E)-4-[(2Z)-2-ethenylpenta-2,4-dienylidene]cyclohexa-1,5-dien-1-yl]but-1-en-2-yl]-4-methylpiperazine
CID 137382270
N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]ethane-1,2-diamine;ethane
CID 142367640
(3S)-N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine;ethane
CID 142367838
N,N'-dimethyl-N-(1-methylazetidin-3-yl)-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;ethane
CID 142368617
ethane;N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 142386287

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The IUPAC name of N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (CID 142386288) is N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The canonical SMILES for N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is CCN1CC(N(C)CCN(C)C2=CC=C(C)CC2)C1.
What is the InChIKey of N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The InChIKey is BWPZBXRHNRXONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-19-12-16(13-19)18(4)11-10-17(3)15-8-6-14(2)7-9-15/h6,8,16H,5,7,9-13H2,1-4H3.
What are the key properties of N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 142386288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).