[2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine

C19H30N2 — CID 79972102

IUPAC[2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine
SMILESCC(C)N1CCCCC(CN)C1c1ccccc1C1CC1
InChIInChI=1S/C19H30N2/c1-14(2)21-12-6-5-7-16(13-20)19(21)18-9-4-3-8-17(18)15-10-11-15/h3-4,8-9,14-16,19H,5-7,10-13,20H2,1-2H3
InChIKeyMQKUDTWGXFRTCX-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.07
Rot. Bonds4

About [2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine

[2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine (PubChem CID 79972102) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is [2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine
PubChem CID79972102
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name[2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine
SMILESCC(C)N1CCCCC(CN)C1c1ccccc1C1CC1
InChIInChI=1S/C19H30N2/c1-14(2)21-12-6-5-7-16(13-20)19(21)18-9-4-3-8-17(18)15-10-11-15/h3-4,8-9,14-16,19H,5-7,10-13,20H2,1-2H3
InChIKeyMQKUDTWGXFRTCX-UHFFFAOYSA-N
XLogP4.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine?
The IUPAC name of [2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine (CID 79972102) is [2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine.
What is the SMILES notation for [2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine?
The canonical SMILES for [2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine is CC(C)N1CCCCC(CN)C1c1ccccc1C1CC1.
What is the InChIKey of [2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine?
The InChIKey is MQKUDTWGXFRTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)21-12-6-5-7-16(13-20)19(21)18-9-4-3-8-17(18)15-10-11-15/h3-4,8-9,14-16,19H,5-7,10-13,20H2,1-2H3.
What are the key properties of [2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine?
[2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine has a molecular weight of 286.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine is sourced from PubChem (CID 79972102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).