N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine

C12H28N2 — CID 80544089

IUPACN-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine
SMILESCCC(CC)(CC)NCC(C)CCN
InChIInChI=1S/C12H28N2/c1-5-12(6-2,7-3)14-10-11(4)8-9-13/h11,14H,5-10,13H2,1-4H3
InChIKeyGZSXEDXNCRMQBX-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.53
Rot. Bonds8

About N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine

N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine (PubChem CID 80544089) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine
PubChem CID80544089
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine
SMILESCCC(CC)(CC)NCC(C)CCN
InChIInChI=1S/C12H28N2/c1-5-12(6-2,7-3)14-10-11(4)8-9-13/h11,14H,5-10,13H2,1-4H3
InChIKeyGZSXEDXNCRMQBX-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methylbutane-1,4-diamine
CID 79001608
3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine
CID 116501336
2-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 79001587
2-ethyl-2-(2-methylbutylamino)propane-1,3-diol
CID 103897103
3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine
CID 65041404
2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine
CID 103922999
2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
CID 144887012
(2S)-2-methylbutane-1,4-diamine
CID 51382069
N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine
CID 115202800
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
CID 106293654

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine?
The IUPAC name of N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine (CID 80544089) is N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine is CCC(CC)(CC)NCC(C)CCN.
What is the InChIKey of N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine?
The InChIKey is GZSXEDXNCRMQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-12(6-2,7-3)14-10-11(4)8-9-13/h11,14H,5-10,13H2,1-4H3.
What are the key properties of N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine?
N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 80544089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).