N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine

C17H29F2N — CID 163294986

IUPACN-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine
SMILESC=C(NC1CCC(C(C)(F)F)CC1)C(CC)CC1CC1
InChIInChI=1S/C17H29F2N/c1-4-14(11-13-5-6-13)12(2)20-16-9-7-15(8-10-16)17(3,18)19/h13-16,20H,2,4-11H2,1,3H3
InChIKeyCALDARLMMVSBPC-UHFFFAOYSA-N
MW285.42 g/mol
LogP5.13
Rot. Bonds7

About N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine

N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine (PubChem CID 163294986) has the molecular formula C17H29F2N and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine
PubChem CID163294986
Molecular FormulaC17H29F2N
Molecular Weight285.42 g/mol
Exact Mass285.23
IUPAC NameN-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine
SMILESC=C(NC1CCC(C(C)(F)F)CC1)C(CC)CC1CC1
InChIInChI=1S/C17H29F2N/c1-4-14(11-13-5-6-13)12(2)20-16-9-7-15(8-10-16)17(3,18)19/h13-16,20H,2,4-11H2,1,3H3
InChIKeyCALDARLMMVSBPC-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
CID 89108112
N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine
CID 138459920
3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
N-(3-cyclohexylpropyl)-11-fluoroundec-1-en-2-amine
CID 169971563
N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine
CID 174336602
N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104581723
N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844790
1-(4,4-difluorocyclohexyl)-N-ethylbut-3-en-1-amine
CID 105108104
1-(4,4-difluorocyclohexyl)-N-propylbut-3-en-1-amine
CID 105108346
1-(4,4-difluorocyclohexyl)-N-ethylpent-4-en-1-amine
CID 105153385
1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine
CID 105153470
1-(4,4-difluorocyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105162988

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine?
The IUPAC name of N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine (CID 163294986) is N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine?
The canonical SMILES for N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine is C=C(NC1CCC(C(C)(F)F)CC1)C(CC)CC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine?
The InChIKey is CALDARLMMVSBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F2N/c1-4-14(11-13-5-6-13)12(2)20-16-9-7-15(8-10-16)17(3,18)19/h13-16,20H,2,4-11H2,1,3H3.
What are the key properties of N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine?
N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine has a molecular weight of 285.42 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 163294986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).