N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine

C18H29NO — CID 82461769

IUPACN-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
SMILESCCCCCCNC1CC(C)(C)Oc2cc(C)ccc21
InChIInChI=1S/C18H29NO/c1-5-6-7-8-11-19-16-13-18(3,4)20-17-12-14(2)9-10-15(16)17/h9-10,12,16,19H,5-8,11,13H2,1-4H3
InChIKeyCZPMRQPXCILECI-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.77
Rot. Bonds6

About N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine

N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine (PubChem CID 82461769) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
PubChem CID82461769
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
SMILESCCCCCCNC1CC(C)(C)Oc2cc(C)ccc21
InChIInChI=1S/C18H29NO/c1-5-6-7-8-11-19-16-13-18(3,4)20-17-12-14(2)9-10-15(16)17/h9-10,12,16,19H,5-8,11,13H2,1-4H3
InChIKeyCZPMRQPXCILECI-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
CID 82462139
N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461776
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
6-ethoxy-N-hexyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82461979
N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 82462091
2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82461781
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
N-butyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 156754055
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462059
7-(methoxymethoxy)-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 65365816
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine (CID 82461769) is N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine is CCCCCCNC1CC(C)(C)Oc2cc(C)ccc21.
What is the InChIKey of N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is CZPMRQPXCILECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-6-7-8-11-19-16-13-18(3,4)20-17-12-14(2)9-10-15(16)17/h9-10,12,16,19H,5-8,11,13H2,1-4H3.
What are the key properties of N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine?
N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82461769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).