N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine

C16H23NO — CID 113348909

IUPACN-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC1(CNC2CCOc3ccccc32)CC1
InChIInChI=1S/C16H23NO/c1-2-8-16(9-10-16)12-17-14-7-11-18-15-6-4-3-5-13(14)15/h3-6,14,17H,2,7-12H2,1H3
InChIKeyIEHBPSPNSIQUCH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.68
Rot. Bonds5

About N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine

N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 113348909) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID113348909
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC1(CNC2CCOc3ccccc32)CC1
InChIInChI=1S/C16H23NO/c1-2-8-16(9-10-16)12-17-14-7-11-18-15-6-4-3-5-13(14)15/h3-6,14,17H,2,7-12H2,1H3
InChIKeyIEHBPSPNSIQUCH-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol
CID 114750660
6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103904001
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038
N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 113348909) is N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine is CCCC1(CNC2CCOc3ccccc32)CC1.
What is the InChIKey of N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IEHBPSPNSIQUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-8-16(9-10-16)12-17-14-7-11-18-15-6-4-3-5-13(14)15/h3-6,14,17H,2,7-12H2,1H3.
What are the key properties of N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 113348909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).