N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine

C14H32N2 — CID 170444078

IUPACN,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine
SMILESCC(C)CCNCCC(C)(C)CCN(C)C
InChIInChI=1S/C14H32N2/c1-13(2)7-10-15-11-8-14(3,4)9-12-16(5)6/h13,15H,7-12H2,1-6H3
InChIKeyOOAWDWCHOPGJKY-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.99
Rot. Bonds9

About N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine

N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine (PubChem CID 170444078) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine
PubChem CID170444078
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine
SMILESCC(C)CCNCCC(C)(C)CCN(C)C
InChIInChI=1S/C14H32N2/c1-13(2)7-10-15-11-8-14(3,4)9-12-16(5)6/h13,15H,7-12H2,1-6H3
InChIKeyOOAWDWCHOPGJKY-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 52.99
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

N,N,N',N',3,3-hexamethylpentane-1,5-diamine
CID 143746016
(3S)-1-N-(3-methylbutyl)butane-1,3-diamine
CID 86664875
N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666080
2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 138459549
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62559232
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine
CID 91542846
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62575619
N-(3-methoxy-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 103020038
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 102997823
4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
CID 65287517
N'-[2-[2-[2-[2-aminoethyl(3,3-dimethylbutyl)amino]ethylamino]ethyl-[2-[2-(3-methylbutylamino)ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 145003795

Frequently Asked Questions

What is the IUPAC name of N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine?
The IUPAC name of N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine (CID 170444078) is N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine.
What is the SMILES notation for N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine?
The canonical SMILES for N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine is CC(C)CCNCCC(C)(C)CCN(C)C.
What is the InChIKey of N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine?
The InChIKey is OOAWDWCHOPGJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-13(2)7-10-15-11-8-14(3,4)9-12-16(5)6/h13,15H,7-12H2,1-6H3.
What are the key properties of N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine?
N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine has a molecular weight of 228.42 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine is sourced from PubChem (CID 170444078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).