1-N'-pentan-2-ylethane-1,1-diamine

C7H18N2 — CID 147485734

IUPAC1-N'-pentan-2-ylethane-1,1-diamine
SMILESCCCC(C)NC(C)N
InChIInChI=1S/C7H18N2/c1-4-5-6(2)9-7(3)8/h6-7,9H,4-5,8H2,1-3H3
InChIKeyFENPFKRDCRAJTD-UHFFFAOYSA-N
MW130.23 g/mol
LogP1.07
Rot. Bonds4

About 1-N'-pentan-2-ylethane-1,1-diamine

1-N'-pentan-2-ylethane-1,1-diamine (PubChem CID 147485734) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 1-N'-pentan-2-ylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-pentan-2-ylethane-1,1-diamine
PubChem CID147485734
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name1-N'-pentan-2-ylethane-1,1-diamine
SMILESCCCC(C)NC(C)N
InChIInChI=1S/C7H18N2/c1-4-5-6(2)9-7(3)8/h6-7,9H,4-5,8H2,1-3H3
InChIKeyFENPFKRDCRAJTD-UHFFFAOYSA-N
XLogP1.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminoethylamino)pentanal
CID 118311398
1,2-bis[(2S)-pentan-2-yl]hydrazine
CID 92556919
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
(2S)-pentan-2-amine
CID 6997344
N-pentan-2-ylhex-1-yn-3-amine
CID 106226440
3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 107886793
oxalic acid;N-propan-2-ylpentan-2-amine
CID 175913447
1-iodo-3-methyl-N-pentan-2-ylbutan-2-amine
CID 107887699
4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine
CID 107887573
N-methylpentan-2-amine;hydrochloride
CID 42919600
(2R)-N-chloropentan-2-amine
CID 88575991
ethane;(2S)-N-methylpentan-2-amine
CID 143603159

Frequently Asked Questions

What is the IUPAC name of 1-N'-pentan-2-ylethane-1,1-diamine?
The IUPAC name of 1-N'-pentan-2-ylethane-1,1-diamine (CID 147485734) is 1-N'-pentan-2-ylethane-1,1-diamine.
What is the SMILES notation for 1-N'-pentan-2-ylethane-1,1-diamine?
The canonical SMILES for 1-N'-pentan-2-ylethane-1,1-diamine is CCCC(C)NC(C)N.
What is the InChIKey of 1-N'-pentan-2-ylethane-1,1-diamine?
The InChIKey is FENPFKRDCRAJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-4-5-6(2)9-7(3)8/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 1-N'-pentan-2-ylethane-1,1-diamine?
1-N'-pentan-2-ylethane-1,1-diamine has a molecular weight of 130.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-pentan-2-ylethane-1,1-diamine is sourced from PubChem (CID 147485734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).