2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine

C18H32N2 — CID 102912703

IUPAC2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine
SMILESCC(C)C(CNC(CN)C(C)c1ccccc1)C(C)C
InChIInChI=1S/C18H32N2/c1-13(2)17(14(3)4)12-20-18(11-19)15(5)16-9-7-6-8-10-16/h6-10,13-15,17-18,20H,11-12,19H2,1-5H3
InChIKeyDJTSIPRTBYEHQX-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.64
Rot. Bonds8

About 2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine

2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine (PubChem CID 102912703) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine
PubChem CID102912703
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine
SMILESCC(C)C(CNC(CN)C(C)c1ccccc1)C(C)C
InChIInChI=1S/C18H32N2/c1-13(2)17(14(3)4)12-20-18(11-19)15(5)16-9-7-6-8-10-16/h6-10,13-15,17-18,20H,11-12,19H2,1-5H3
InChIKeyDJTSIPRTBYEHQX-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
CID 102912296
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029
3-[(3-methyl-2-propan-2-ylbutyl)amino]-3-phenylpropanenitrile
CID 102905343
2-fluoro-3-phenylbutan-1-amine
CID 126843894
1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912678
(2S)-3-methyl-2-N-phenylbutane-1,2-diamine
CID 25323651
1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912745
[2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol
CID 106359972
1-(3-cyclopropylphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912347
3,3-diphenyl-2-N-propylpropane-1,2-diamine
CID 107292802
(2S,3R)-2-(aminomethyl)-3-phenylbutan-1-ol
CID 99963418

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine (CID 102912703) is 2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine is CC(C)C(CNC(CN)C(C)c1ccccc1)C(C)C.
What is the InChIKey of 2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine?
The InChIKey is DJTSIPRTBYEHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-13(2)17(14(3)4)12-20-18(11-19)15(5)16-9-7-6-8-10-16/h6-10,13-15,17-18,20H,11-12,19H2,1-5H3.
What are the key properties of 2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine?
2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine is sourced from PubChem (CID 102912703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).