N'-heptyl-N',2,2-trimethylpropane-1,3-diamine

C13H30N2 — CID 79648051

IUPACN'-heptyl-N',2,2-trimethylpropane-1,3-diamine
SMILESCCCCCCCN(C)CC(C)(C)CN
InChIInChI=1S/C13H30N2/c1-5-6-7-8-9-10-15(4)12-13(2,3)11-14/h5-12,14H2,1-4H3
InChIKeyNAJHNCAJVCZROS-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.87
Rot. Bonds9

About N'-heptyl-N',2,2-trimethylpropane-1,3-diamine

N'-heptyl-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79648051) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-heptyl-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-heptyl-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79648051
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-heptyl-N',2,2-trimethylpropane-1,3-diamine
SMILESCCCCCCCN(C)CC(C)(C)CN
InChIInChI=1S/C13H30N2/c1-5-6-7-8-9-10-15(4)12-13(2,3)11-14/h5-12,14H2,1-4H3
InChIKeyNAJHNCAJVCZROS-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.87
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'-decyl-N',2,2-trimethylpropane-1,3-diamine
CID 79652340
3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine
CID 65000482
N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115514950
N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine
CID 79644855
N'-heptyl-N'-methylmethanediamine
CID 89177315
N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652389
N-methyl-N-nonylundecan-1-amine
CID 603442
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995

Frequently Asked Questions

What is the IUPAC name of N'-heptyl-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-heptyl-N',2,2-trimethylpropane-1,3-diamine (CID 79648051) is N'-heptyl-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-heptyl-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-heptyl-N',2,2-trimethylpropane-1,3-diamine is CCCCCCCN(C)CC(C)(C)CN.
What is the InChIKey of N'-heptyl-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is NAJHNCAJVCZROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-6-7-8-9-10-15(4)12-13(2,3)11-14/h5-12,14H2,1-4H3.
What are the key properties of N'-heptyl-N',2,2-trimethylpropane-1,3-diamine?
N'-heptyl-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptyl-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79648051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).