1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine

C19H32N2 — CID 43269449

IUPAC1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCN(C(C)C)C1(CN)CCC(c2ccccc2)CC1
InChIInChI=1S/C19H32N2/c1-4-14-21(16(2)3)19(15-20)12-10-18(11-13-19)17-8-6-5-7-9-17/h5-9,16,18H,4,10-15,20H2,1-3H3
InChIKeyYOSDPTAULJAQMV-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.16
Rot. Bonds6

About 1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine

1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 43269449) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID43269449
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCN(C(C)C)C1(CN)CCC(c2ccccc2)CC1
InChIInChI=1S/C19H32N2/c1-4-14-21(16(2)3)19(15-20)12-10-18(11-13-19)17-8-6-5-7-9-17/h5-9,16,18H,4,10-15,20H2,1-3H3
InChIKeyYOSDPTAULJAQMV-UHFFFAOYSA-N
XLogP4.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine (CID 43269449) is 1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine is CCCN(C(C)C)C1(CN)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is YOSDPTAULJAQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-14-21(16(2)3)19(15-20)12-10-18(11-13-19)17-8-6-5-7-9-17/h5-9,16,18H,4,10-15,20H2,1-3H3.
What are the key properties of 1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine?
1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 43269449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).