1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine

C9H19FN2 — CID 116652638

IUPAC1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine
SMILESCN(CCCF)C(CN)C1CC1
InChIInChI=1S/C9H19FN2/c1-12(6-2-5-10)9(7-11)8-3-4-8/h8-9H,2-7,11H2,1H3
InChIKeyPWTGZBUVOZAUQE-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.02
Rot. Bonds6

About 1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine

1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine (PubChem CID 116652638) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine
PubChem CID116652638
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine
SMILESCN(CCCF)C(CN)C1CC1
InChIInChI=1S/C9H19FN2/c1-12(6-2-5-10)9(7-11)8-3-4-8/h8-9H,2-7,11H2,1H3
InChIKeyPWTGZBUVOZAUQE-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N1,N1,4-trimethylpentane-1,2-diamine
CID 28599421
(1-Amino-3-ethylpentan-2-yl)dimethylamine
CID 42933682
(2-Amino-1-cyclopropylethyl)dimethylamine
CID 43655002
(1-Amino-4-methylpentan-2-yl)dimethylamine
CID 16228003
2-Cyclopropyl-1-methylpiperazine
CID 54518089
3-Cyclopropyl-1-methylpiperazine
CID 58803041
(1-Amino-4-methylpentan-2-yl)diethylamine
CID 42933681
[(2S,3S)-2-amino-3-methylpentyl]dimethylamine
CID 28599433
1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 75382833
(2-Amino-4-methylpentyl)dimethylamine
CID 20383004
N-[(1R)-1-cyclopropylethyl]-2-fluoropropan-2-amine
CID 67141484
N-(1-cyclopropylethyl)-2-fluoropropan-2-amine
CID 77187032

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine (CID 116652638) is 1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine is CN(CCCF)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine?
The InChIKey is PWTGZBUVOZAUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-12(6-2-5-10)9(7-11)8-3-4-8/h8-9H,2-7,11H2,1H3.
What are the key properties of 1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine?
1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine has a molecular weight of 174.26 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 116652638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).