N-benzyl-1-ethylcyclopropan-1-amine

C12H17N — CID 130847049

IUPACN-benzyl-1-ethylcyclopropan-1-amine
SMILESCCC1(NCc2ccccc2)CC1
InChIInChI=1S/C12H17N/c1-2-12(8-9-12)13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyIBAQMEDNEYBHMI-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.72
Rot. Bonds4

About N-benzyl-1-ethylcyclopropan-1-amine

N-benzyl-1-ethylcyclopropan-1-amine (PubChem CID 130847049) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-benzyl-1-ethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-ethylcyclopropan-1-amine
PubChem CID130847049
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-benzyl-1-ethylcyclopropan-1-amine
SMILESCCC1(NCc2ccccc2)CC1
InChIInChI=1S/C12H17N/c1-2-12(8-9-12)13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyIBAQMEDNEYBHMI-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(aminomethyl)-N-benzylcyclobutan-1-amine
CID 79521095
N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 147734496
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[1-(benzylamino)-3-ethylcyclopentyl]methanol
CID 64515749
4-[[(1-ethylcyclobutyl)amino]methyl]phenol
CID 115978684
1-ethyl-N-(naphthalen-2-ylmethyl)cyclobutan-1-amine
CID 113488696
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 90197726
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113248763
2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid
CID 83693626
[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol
CID 79852336

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-ethylcyclopropan-1-amine?
The IUPAC name of N-benzyl-1-ethylcyclopropan-1-amine (CID 130847049) is N-benzyl-1-ethylcyclopropan-1-amine.
What is the SMILES notation for N-benzyl-1-ethylcyclopropan-1-amine?
The canonical SMILES for N-benzyl-1-ethylcyclopropan-1-amine is CCC1(NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-ethylcyclopropan-1-amine?
The InChIKey is IBAQMEDNEYBHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-12(8-9-12)13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3.
What are the key properties of N-benzyl-1-ethylcyclopropan-1-amine?
N-benzyl-1-ethylcyclopropan-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-ethylcyclopropan-1-amine is sourced from PubChem (CID 130847049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).