N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine

C17H27NO — CID 82461541

IUPACN-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCNC1CCOc2cc(C)c(C)cc21
InChIInChI=1S/C17H27NO/c1-4-5-6-7-9-18-16-8-10-19-17-12-14(3)13(2)11-15(16)17/h11-12,16,18H,4-10H2,1-3H3
InChIKeyFVCNPAIIXBPSNB-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.30
Rot. Bonds6

About N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine

N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461541) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461541
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCNC1CCOc2cc(C)c(C)cc21
InChIInChI=1S/C17H27NO/c1-4-5-6-7-9-18-16-8-10-19-17-12-14(3)13(2)11-15(16)17/h11-12,16,18H,4-10H2,1-3H3
InChIKeyFVCNPAIIXBPSNB-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461741
8-fluoro-7-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 107170018
N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 82461432
N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461561
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 82461406
6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461557
N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43512405
6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 63213374
8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79983235
8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43511874
N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide
CID 143107787

Frequently Asked Questions

What is the IUPAC name of N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 82461541) is N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine is CCCCCCNC1CCOc2cc(C)c(C)cc21.
What is the InChIKey of N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FVCNPAIIXBPSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-5-6-7-9-18-16-8-10-19-17-12-14(3)13(2)11-15(16)17/h11-12,16,18H,4-10H2,1-3H3.
What are the key properties of N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).