N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine

C9H18FN — CID 131222657

IUPACN-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine
SMILESCN(CCCF)C1CC1(C)C
InChIInChI=1S/C9H18FN/c1-9(2)7-8(9)11(3)6-4-5-10/h8H,4-7H2,1-3H3
InChIKeyVDPZELPVIMSQQR-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds4

About N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine

N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine (PubChem CID 131222657) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine
PubChem CID131222657
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine
SMILESCN(CCCF)C1CC1(C)C
InChIInChI=1S/C9H18FN/c1-9(2)7-8(9)11(3)6-4-5-10/h8H,4-7H2,1-3H3
InChIKeyVDPZELPVIMSQQR-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine?
The IUPAC name of N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine (CID 131222657) is N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine.
What is the SMILES notation for N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine?
The canonical SMILES for N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine is CN(CCCF)C1CC1(C)C.
What is the InChIKey of N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine?
The InChIKey is VDPZELPVIMSQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-9(2)7-8(9)11(3)6-4-5-10/h8H,4-7H2,1-3H3.
What are the key properties of N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine?
N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N,2,2-trimethylcyclopropan-1-amine is sourced from PubChem (CID 131222657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).