N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine

C18H32N2 — CID 63321844

IUPACN',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
SMILESCC(C)CN(CCCC(N)c1ccccc1)CC(C)C
InChIInChI=1S/C18H32N2/c1-15(2)13-20(14-16(3)4)12-8-11-18(19)17-9-6-5-7-10-17/h5-7,9-10,15-16,18H,8,11-14,19H2,1-4H3
InChIKeyALZPASQEJARINT-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.08
Rot. Bonds9

About N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine

N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine (PubChem CID 63321844) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
PubChem CID63321844
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
SMILESCC(C)CN(CCCC(N)c1ccccc1)CC(C)C
InChIInChI=1S/C18H32N2/c1-15(2)13-20(14-16(3)4)12-8-11-18(19)17-9-6-5-7-10-17/h5-7,9-10,15-16,18H,8,11-14,19H2,1-4H3
InChIKeyALZPASQEJARINT-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55138914
N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
CID 63322236
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
N'-ethyl-N'-heptyl-1-phenylbutane-1,4-diamine
CID 174264549
N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine
CID 63321755
1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine
CID 63494766
N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine
CID 112661233
1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
1-phenyldecan-1-amine
CID 43175860
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62618210

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine?
The IUPAC name of N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine (CID 63321844) is N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine.
What is the SMILES notation for N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine?
The canonical SMILES for N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine is CC(C)CN(CCCC(N)c1ccccc1)CC(C)C.
What is the InChIKey of N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine?
The InChIKey is ALZPASQEJARINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-15(2)13-20(14-16(3)4)12-8-11-18(19)17-9-6-5-7-10-17/h5-7,9-10,15-16,18H,8,11-14,19H2,1-4H3.
What are the key properties of N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine?
N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine is sourced from PubChem (CID 63321844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).