(2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine

C10H18FN — CID 165063750

IUPAC(2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C1(F)CC1
InChIInChI=1S/C10H18FN/c1-7(2)8(3)12-9(4)10(11)5-6-10/h7-8,12H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyNMZJNTZMZKKUAV-MRVPVSSYSA-N
MW171.26 g/mol
LogP2.64
Rot. Bonds4

About (2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine

(2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine (PubChem CID 165063750) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine
PubChem CID165063750
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C1(F)CC1
InChIInChI=1S/C10H18FN/c1-7(2)8(3)12-9(4)10(11)5-6-10/h7-8,12H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyNMZJNTZMZKKUAV-MRVPVSSYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]propan-1-amine
CID 117669792
4-N-(3-fluoro-2-methylbutyl)-2-N-propylpenta-1,4-diene-2,4-diamine
CID 130242921
3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine
CID 146341897
2-fluoro-3,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 153602081
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 170005371
N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine
CID 170075503
N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine
CID 174325971
3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine
CID 164980647
N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine
CID 169254538
N-butyl-3-methylpent-1-en-2-amine
CID 18717521
3-methyl-N-propan-2-ylpent-1-en-2-amine
CID 57633818
3,4-dimethyl-N-propan-2-ylpent-1-en-2-amine
CID 58181553

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine?
The IUPAC name of (2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine (CID 165063750) is (2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine?
The canonical SMILES for (2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine is C=C(N[C@H](C)C(C)C)C1(F)CC1.
What is the InChIKey of (2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine?
The InChIKey is NMZJNTZMZKKUAV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18FN/c1-7(2)8(3)12-9(4)10(11)5-6-10/h7-8,12H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine?
(2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine has a molecular weight of 171.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine is sourced from PubChem (CID 165063750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).