N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine

C16H29F3N2 — CID 114490750

IUPACN-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
SMILESCC(C)CNCCCCCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C16H29F3N2/c1-14(2)13-20-9-5-3-4-6-10-21-11-7-15(8-12-21)16(17,18)19/h7,14,20H,3-6,8-13H2,1-2H3
InChIKeySGECHNCTICUVPI-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.99
Rot. Bonds9

About N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine

N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine (PubChem CID 114490750) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
PubChem CID114490750
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC NameN-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
SMILESCC(C)CNCCCCCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C16H29F3N2/c1-14(2)13-20-9-5-3-4-6-10-21-11-7-15(8-12-21)16(17,18)19/h7,14,20H,3-6,8-13H2,1-2H3
InChIKeySGECHNCTICUVPI-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibutyl-N'-[(E)-4,6-difluoro-2-methylidenehex-3-enyl]-2-methylpentane-1,5-diamine
CID 89204481
N,N'-dibutyl-N'-[(E)-4,6-difluoro-2-methylhex-3-enyl]-2-methylpentane-1,5-diamine
CID 89204484
4-[(2E,4Z)-3-(trifluoromethyl)hepta-2,4-dien-4-yl]-1,2,3,6-tetrahydropyridine
CID 142247437
(E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
CID 170259421
(E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine
CID 170260476
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine
CID 172353948
4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen
CID 177147433
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine;ethane
CID 177353262
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366474
3,3,3-trifluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]propan-1-amine
CID 103366475
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
CID 105431028
2,2-Difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
CID 105431838

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine?
The IUPAC name of N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine (CID 114490750) is N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine is CC(C)CNCCCCCCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine?
The InChIKey is SGECHNCTICUVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-14(2)13-20-9-5-3-4-6-10-21-11-7-15(8-12-21)16(17,18)19/h7,14,20H,3-6,8-13H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine?
N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine has a molecular weight of 306.42 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine is sourced from PubChem (CID 114490750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).