1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine

C14H32N2 — CID 43792413

IUPAC1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine
SMILESCCC(NC(CC(C)C)CN(C)C)C(C)C
InChIInChI=1S/C14H32N2/c1-8-14(12(4)5)15-13(9-11(2)3)10-16(6)7/h11-15H,8-10H2,1-7H3
InChIKeyABARUAQNIIQVJH-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.99
Rot. Bonds8

About 1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine (PubChem CID 43792413) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine
PubChem CID43792413
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine
SMILESCCC(NC(CC(C)C)CN(C)C)C(C)C
InChIInChI=1S/C14H32N2/c1-8-14(12(4)5)15-13(9-11(2)3)10-16(6)7/h11-15H,8-10H2,1-7H3
InChIKeyABARUAQNIIQVJH-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476883
2-N-(1-cyclopropylpropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115716711
2-N-(1-cyclopentylethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 62632470
N,N,4-trimethyl-2-(2-methylpentan-3-ylamino)pentanamide
CID 43779357
2-N-(1-cyclobutylpropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115716709
(2R)-2-[[(3R)-2-methylpentan-3-yl]amino]butan-1-ol
CID 93285453
2-N-butan-2-yl-1-N,1-N-dimethylbutane-1,2-diamine
CID 129045387
2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 107445286
1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine
CID 63453736
methyl 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963779
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-ethylthiourea
CID 115587616

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine (CID 43792413) is 1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine is CCC(NC(CC(C)C)CN(C)C)C(C)C.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine?
The InChIKey is ABARUAQNIIQVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-8-14(12(4)5)15-13(9-11(2)3)10-16(6)7/h11-15H,8-10H2,1-7H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine is sourced from PubChem (CID 43792413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).