1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine

C16H26N2 — CID 115256942

IUPAC1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine
SMILESCc1ccc(C(C)C)cc1CCNCC1(N)CC1
InChIInChI=1S/C16H26N2/c1-12(2)14-5-4-13(3)15(10-14)6-9-18-11-16(17)7-8-16/h4-5,10,12,18H,6-9,11,17H2,1-3H3
InChIKeyMXINOIHMNDPCKD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.74
Rot. Bonds6

About 1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine

1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine (PubChem CID 115256942) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine
PubChem CID115256942
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine
SMILESCc1ccc(C(C)C)cc1CCNCC1(N)CC1
InChIInChI=1S/C16H26N2/c1-12(2)14-5-4-13(3)15(10-14)6-9-18-11-16(17)7-8-16/h4-5,10,12,18H,6-9,11,17H2,1-3H3
InChIKeyMXINOIHMNDPCKD-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-Dimethylphenyl)piperidine
CID 10103976
3-(2,3-Dimethylphenyl)piperidine
CID 10679213
[(1-Methyl-4-piperidinyl)methyl][trans-2-phenylcyclopropyl]amine
CID 66571590
N-(4-isopropylbenzyl)cyclopropanamine
CID 4723387
(2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine
CID 23641127
[(2S)-2-(4-isobutylphenyl)propyl]-[(1R,2R)-2-methyl-1-[[[(1S)-2-methyl-1-(methylaminomethyl)propyl]amino]methyl]butyl]amine
CID 24793499
(2S)-3-methyl-2-N-[(1-phenylcyclopropyl)methyl]pentane-1,2-diamine
CID 44143134
[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride
CID 44572179
3-[2-(3,4-Dimethylphenyl)phenyl]pyrrolidine
CID 46205703
US9670136, 27 N1-(2-(o-tolyl)cyclopropyl)cyclohexane-1,4-diamine
CID 71553304
US9670136, 33 N1-(2-(naphthalen-2-yl)cyclopropyl)cyclohexane-1,4-diamine
CID 78109645
US9670136, 16 1-methyl-N4-((trans)-2-phenylcyclopropyl)cyclohexane-1,4-diamine
CID 90395378

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine (CID 115256942) is 1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine is Cc1ccc(C(C)C)cc1CCNCC1(N)CC1.
What is the InChIKey of 1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine?
The InChIKey is MXINOIHMNDPCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)14-5-4-13(3)15(10-14)6-9-18-11-16(17)7-8-16/h4-5,10,12,18H,6-9,11,17H2,1-3H3.
What are the key properties of 1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine?
1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115256942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).