N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine

C14H32N2 — CID 170176029

IUPACN'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
SMILESCCCCCNCCCCN(C)CCCC
InChIInChI=1S/C14H32N2/c1-4-6-8-11-15-12-9-10-14-16(3)13-7-5-2/h15H,4-14H2,1-3H3
InChIKeyCPGLBXNFQXFBKR-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.28
Rot. Bonds12

About N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine

N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine (PubChem CID 170176029) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
PubChem CID170176029
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
SMILESCCCCCNCCCCN(C)CCCC
InChIInChI=1S/C14H32N2/c1-4-6-8-11-15-12-9-10-14-16(3)13-7-5-2/h15H,4-14H2,1-3H3
InChIKeyCPGLBXNFQXFBKR-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.28
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'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 61386626
N-butyl-N-methylpentan-1-amine
CID 54060013
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
N-heptyl-N'-methyl-N'-nonylmethanediamine
CID 123624705
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexadecyl-N-methylicosan-1-amine
CID 21242596

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine?
The IUPAC name of N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine (CID 170176029) is N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine.
What is the SMILES notation for N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine?
The canonical SMILES for N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine is CCCCCNCCCCN(C)CCCC.
What is the InChIKey of N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine?
The InChIKey is CPGLBXNFQXFBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-4-6-8-11-15-12-9-10-14-16(3)13-7-5-2/h15H,4-14H2,1-3H3.
What are the key properties of N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine?
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.28, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine is sourced from PubChem (CID 170176029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).