4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine

C14H25N — CID 145100474

IUPAC4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine
SMILESCCCCC(C)C1=CC=C(N(C)C)CC1
InChIInChI=1S/C14H25N/c1-5-6-7-12(2)13-8-10-14(11-9-13)15(3)4/h8,10,12H,5-7,9,11H2,1-4H3
InChIKeyIOIRKCQLXHENJC-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.98
Rot. Bonds5

About 4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine

4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 145100474) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID145100474
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine
SMILESCCCCC(C)C1=CC=C(N(C)C)CC1
InChIInChI=1S/C14H25N/c1-5-6-7-12(2)13-8-10-14(11-9-13)15(3)4/h8,10,12H,5-7,9,11H2,1-4H3
InChIKeyIOIRKCQLXHENJC-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-pentan-2-ylcyclohexa-1,3-diene
CID 144780795
1-pentan-2-ylcyclobutene
CID 123526137
1-[1-hydroxypentyl(methyl)amino]pentan-1-ol
CID 87112081
1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium
CID 145474235
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
3-hexan-2-yl-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one
CID 167307394
1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene
CID 143023152
1-hexan-2-yl-4-phenylbenzene
CID 57161678
3-hexan-2-yl-1H-pyridin-2-one
CID 146209312
1-methyl-2-octan-2-ylbenzene
CID 86190056
1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578

Frequently Asked Questions

What is the IUPAC name of 4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine (CID 145100474) is 4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine is CCCCC(C)C1=CC=C(N(C)C)CC1.
What is the InChIKey of 4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is IOIRKCQLXHENJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-5-6-7-12(2)13-8-10-14(11-9-13)15(3)4/h8,10,12H,5-7,9,11H2,1-4H3.
What are the key properties of 4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine?
4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 145100474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).