N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine

C13H30N2 — CID 65254460

IUPACN',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine
SMILESCCCC(C)N(C)CCCC(C)(C)CN
InChIInChI=1S/C13H30N2/c1-6-8-12(2)15(5)10-7-9-13(3,4)11-14/h12H,6-11,14H2,1-5H3
InChIKeyOCGWJNUYFODEQO-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.87
Rot. Bonds8

About N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine

N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine (PubChem CID 65254460) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine
PubChem CID65254460
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine
SMILESCCCC(C)N(C)CCCC(C)(C)CN
InChIInChI=1S/C13H30N2/c1-6-8-12(2)15(5)10-7-9-13(3,4)11-14/h12H,6-11,14H2,1-5H3
InChIKeyOCGWJNUYFODEQO-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine?
The IUPAC name of N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine (CID 65254460) is N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine is CCCC(C)N(C)CCCC(C)(C)CN.
What is the InChIKey of N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine?
The InChIKey is OCGWJNUYFODEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-8-12(2)15(5)10-7-9-13(3,4)11-14/h12H,6-11,14H2,1-5H3.
What are the key properties of N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine?
N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 65254460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).