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

C13H30N2 — CID 43769902

IUPAC2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine
SMILESCCC(NCC(C(C)C)N(C)C)C(C)C
InChIInChI=1S/C13H30N2/c1-8-12(10(2)3)14-9-13(11(4)5)15(6)7/h10-14H,8-9H2,1-7H3
InChIKeyYMXKXQUGQYUNCL-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.60
Rot. Bonds7

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

2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine (PubChem CID 43769902) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine
PubChem CID43769902
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine
SMILESCCC(NCC(C(C)C)N(C)C)C(C)C
InChIInChI=1S/C13H30N2/c1-8-12(10(2)3)14-9-13(11(4)5)15(6)7/h10-14H,8-9H2,1-7H3
InChIKeyYMXKXQUGQYUNCL-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methylbutyl)pentan-3-amine
CID 61468909
2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine
CID 154691714
1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43109334
methyl 2-methyl-3-(2-methylpentan-3-ylamino)propanoate
CID 61469517
3-(2-methylpentan-3-ylamino)propane-1,2-diol
CID 66177145
2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 61469518
N,N-dimethyl-2-(2-methylpentan-3-ylamino)acetamide
CID 43775382
N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine
CID 107859023
1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 102868158
N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
CID 77032009
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 115709020

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine (CID 43769902) is 2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine is CCC(NCC(C(C)C)N(C)C)C(C)C.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine?
The InChIKey is YMXKXQUGQYUNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-8-12(10(2)3)14-9-13(11(4)5)15(6)7/h10-14H,8-9H2,1-7H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 43769902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).