N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine

C15H28N2 — CID 135299488

IUPACN'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine
SMILESCC1C=C(N(C)CCN(C)C(C)(C)C)C=CC1
InChIInChI=1S/C15H28N2/c1-13-8-7-9-14(12-13)16(5)10-11-17(6)15(2,3)4/h7,9,12-13H,8,10-11H2,1-6H3
InChIKeyRMTYXDGZDHXNDH-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.13
Rot. Bonds4

About N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine

N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine (PubChem CID 135299488) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine
PubChem CID135299488
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine
SMILESCC1C=C(N(C)CCN(C)C(C)(C)C)C=CC1
InChIInChI=1S/C15H28N2/c1-13-8-7-9-14(12-13)16(5)10-11-17(6)15(2,3)4/h7,9,12-13H,8,10-11H2,1-6H3
InChIKeyRMTYXDGZDHXNDH-UHFFFAOYSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine (CID 135299488) is N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine is CC1C=C(N(C)CCN(C)C(C)(C)C)C=CC1.
What is the InChIKey of N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine?
The InChIKey is RMTYXDGZDHXNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-13-8-7-9-14(12-13)16(5)10-11-17(6)15(2,3)4/h7,9,12-13H,8,10-11H2,1-6H3.
What are the key properties of N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine?
N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine has a molecular weight of 236.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N,N'-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 135299488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).