N,2,2-tripropyl-3,4-dihydrochromen-4-amine

C18H29NO — CID 114712437

IUPACN,2,2-tripropyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(CCC)(CCC)Oc2ccccc21
InChIInChI=1S/C18H29NO/c1-4-11-18(12-5-2)14-16(19-13-6-3)15-9-7-8-10-17(15)20-18/h7-10,16,19H,4-6,11-14H2,1-3H3
InChIKeyWRLHUFFNIOMWOL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.85
Rot. Bonds7

About N,2,2-tripropyl-3,4-dihydrochromen-4-amine

N,2,2-tripropyl-3,4-dihydrochromen-4-amine (PubChem CID 114712437) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N,2,2-tripropyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN,2,2-tripropyl-3,4-dihydrochromen-4-amine
PubChem CID114712437
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN,2,2-tripropyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(CCC)(CCC)Oc2ccccc21
InChIInChI=1S/C18H29NO/c1-4-11-18(12-5-2)14-16(19-13-6-3)15-9-7-8-10-17(15)20-18/h7-10,16,19H,4-6,11-14H2,1-3H3
InChIKeyWRLHUFFNIOMWOL-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462447
2-(cyclopropylmethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712415
N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868375
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875173
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787781
N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462120
6-chloro-2-ethyl-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114711486
2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114713126
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114712383
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide
CID 81137654

Frequently Asked Questions

What is the IUPAC name of N,2,2-tripropyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N,2,2-tripropyl-3,4-dihydrochromen-4-amine (CID 114712437) is N,2,2-tripropyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N,2,2-tripropyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N,2,2-tripropyl-3,4-dihydrochromen-4-amine is CCCNC1CC(CCC)(CCC)Oc2ccccc21.
What is the InChIKey of N,2,2-tripropyl-3,4-dihydrochromen-4-amine?
The InChIKey is WRLHUFFNIOMWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-11-18(12-5-2)14-16(19-13-6-3)15-9-7-8-10-17(15)20-18/h7-10,16,19H,4-6,11-14H2,1-3H3.
What are the key properties of N,2,2-tripropyl-3,4-dihydrochromen-4-amine?
N,2,2-tripropyl-3,4-dihydrochromen-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-tripropyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114712437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).