2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine

C19H32N2 — CID 78973586

IUPAC2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(C)(CN)CCc1ccccc1
InChIInChI=1S/C19H32N2/c1-16(2)12-14-21(18-9-10-18)19(3,15-20)13-11-17-7-5-4-6-8-17/h4-8,16,18H,9-15,20H2,1-3H3
InChIKeySJYZTGXSTLCBSR-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.85
Rot. Bonds9

About 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine

2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine (PubChem CID 78973586) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
PubChem CID78973586
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(C)(CN)CCc1ccccc1
InChIInChI=1S/C19H32N2/c1-16(2)12-14-21(18-9-10-18)19(3,15-20)13-11-17-7-5-4-6-8-17/h4-8,16,18H,9-15,20H2,1-3H3
InChIKeySJYZTGXSTLCBSR-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine (CID 78973586) is 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine is CC(C)CCN(C1CC1)C(C)(CN)CCc1ccccc1.
What is the InChIKey of 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine?
The InChIKey is SJYZTGXSTLCBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16(2)12-14-21(18-9-10-18)19(3,15-20)13-11-17-7-5-4-6-8-17/h4-8,16,18H,9-15,20H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine?
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 78973586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).