2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine

C18H32N2 — CID 114333063

IUPAC2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCCCc1ccccc1)C(C)(CC)CN
InChIInChI=1S/C18H32N2/c1-4-14-20(18(3,5-2)16-19)15-10-9-13-17-11-7-6-8-12-17/h6-8,11-12H,4-5,9-10,13-16,19H2,1-3H3
InChIKeyPTWVWMMDVJSAPN-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.85
Rot. Bonds10

About 2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine

2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine (PubChem CID 114333063) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine
PubChem CID114333063
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCCCc1ccccc1)C(C)(CC)CN
InChIInChI=1S/C18H32N2/c1-4-14-20(18(3,5-2)16-19)15-10-9-13-17-11-7-6-8-12-17/h6-8,11-12H,4-5,9-10,13-16,19H2,1-3H3
InChIKeyPTWVWMMDVJSAPN-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-1-amine;dodecylbenzene
CID 158824240
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325
N-octyl-N-(5-phenylpentyl)octan-1-amine
CID 175488392
2-methyl-2-N-[(4-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62010396
15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
CID 173447970
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84746068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine (CID 114333063) is 2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine is CCCN(CCCCc1ccccc1)C(C)(CC)CN.
What is the InChIKey of 2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine?
The InChIKey is PTWVWMMDVJSAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-14-20(18(3,5-2)16-19)15-10-9-13-17-11-7-6-8-12-17/h6-8,11-12H,4-5,9-10,13-16,19H2,1-3H3.
What are the key properties of 2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine?
2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 114333063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).