N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine

C14H23N — CID 143312048

IUPACN-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CC1=CC=CC=CC1
InChIInChI=1S/C14H23N/c1-13(2)10-11-15(3)12-14-8-6-4-5-7-9-14/h4-8,13H,9-12H2,1-3H3
InChIKeyPCUBKUPPBNIHON-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.41
Rot. Bonds5

About N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine

N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine (PubChem CID 143312048) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine
PubChem CID143312048
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CC1=CC=CC=CC1
InChIInChI=1S/C14H23N/c1-13(2)10-11-15(3)12-14-8-6-4-5-7-9-14/h4-8,13H,9-12H2,1-3H3
InChIKeyPCUBKUPPBNIHON-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-ethylcyclohepta-1,3,5-triene
CID 142143578
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 103054133
2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline
CID 61429364
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CID 63074035
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine
CID 66612939
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 71002758
2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine
CID 104739891
2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol
CID 82986125
N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347466

Frequently Asked Questions

What is the IUPAC name of N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine (CID 143312048) is N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine is CC(C)CCN(C)CC1=CC=CC=CC1.
What is the InChIKey of N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine?
The InChIKey is PCUBKUPPBNIHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-13(2)10-11-15(3)12-14-8-6-4-5-7-9-14/h4-8,13H,9-12H2,1-3H3.
What are the key properties of N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine?
N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine has a molecular weight of 205.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 143312048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).