1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine

C11H26N2 — CID 43650469

IUPAC1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCCC(N)CN(CC)CC(C)C
InChIInChI=1S/C11H26N2/c1-5-7-11(12)9-13(6-2)8-10(3)4/h10-11H,5-9,12H2,1-4H3
InChIKeyJVLBZQZDKXQGSN-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds7

About 1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine

1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 43650469) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
PubChem CID43650469
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCCC(N)CN(CC)CC(C)C
InChIInChI=1S/C11H26N2/c1-5-7-11(12)9-13(6-2)8-10(3)4/h10-11H,5-9,12H2,1-4H3
InChIKeyJVLBZQZDKXQGSN-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 112737195
1-N,1-N-dipropylpentane-1,2-diamine
CID 43650406
2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol
CID 64797844
(2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine
CID 129302821
N-ethyl-N'-(2-methylpropyl)-N,N'-dipropylethane-1,2-diamine
CID 123205995
(2R)-1-N,1-N-diethyl-4-methylpentane-1,2-diamine
CID 28596904
(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine
CID 130522075
1-N-ethyl-1-N-propylhexane-1,2-diamine
CID 60854775
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62475448
1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 18411129
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine (CID 43650469) is 1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine is CCCC(N)CN(CC)CC(C)C.
What is the InChIKey of 1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is JVLBZQZDKXQGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-7-11(12)9-13(6-2)8-10(3)4/h10-11H,5-9,12H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 43650469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).