N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine

C12H28N2 — CID 61386626

IUPACN'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
SMILESCCCCCN(C)CCCNCCC
InChIInChI=1S/C12H28N2/c1-4-6-7-11-14(3)12-8-10-13-9-5-2/h13H,4-12H2,1-3H3
InChIKeyNZSSLUIEUPVYMS-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds10

About N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine

N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine (PubChem CID 61386626) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
PubChem CID61386626
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
SMILESCCCCCN(C)CCCNCCC
InChIInChI=1S/C12H28N2/c1-4-6-7-11-14(3)12-8-10-13-9-5-2/h13H,4-12H2,1-3H3
InChIKeyNZSSLUIEUPVYMS-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
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'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
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'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386623
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-butyl-N-methylpentan-1-amine
CID 54060013
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexyl-N-methyldodecan-1-amine
CID 139978744

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine (CID 61386626) is N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine is CCCCCN(C)CCCNCCC.
What is the InChIKey of N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine?
The InChIKey is NZSSLUIEUPVYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-4-6-7-11-14(3)12-8-10-13-9-5-2/h13H,4-12H2,1-3H3.
What are the key properties of N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine?
N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 61386626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).