N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine

C17H25N — CID 103904112

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCC1(C2CC2)CC1
InChIInChI=1S/C17H25N/c1-2-16(12-14-6-4-3-5-7-14)18-13-17(10-11-17)15-8-9-15/h3-7,15-16,18H,2,8-13H2,1H3
InChIKeyNUNUYGBBSWVHLL-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.79
Rot. Bonds7

About N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine

N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine (PubChem CID 103904112) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine
PubChem CID103904112
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCC1(C2CC2)CC1
InChIInChI=1S/C17H25N/c1-2-16(12-14-6-4-3-5-7-14)18-13-17(10-11-17)15-8-9-15/h3-7,15-16,18H,2,8-13H2,1H3
InChIKeyNUNUYGBBSWVHLL-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol
CID 113349154
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668
N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine
CID 79008013
2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid
CID 114096527
N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 114095475
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730
3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 103965752
3-(1-phenylbutan-2-ylamino)propanenitrile
CID 79007282
N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
CID 79547344

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine (CID 103904112) is N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NCC1(C2CC2)CC1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine?
The InChIKey is NUNUYGBBSWVHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-16(12-14-6-4-3-5-7-14)18-13-17(10-11-17)15-8-9-15/h3-7,15-16,18H,2,8-13H2,1H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine is sourced from PubChem (CID 103904112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).