N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine

C17H37N — CID 102905484

IUPACN-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine
SMILESCCCCCCCCCNCC(C(C)C)C(C)C
InChIInChI=1S/C17H37N/c1-6-7-8-9-10-11-12-13-18-14-17(15(2)3)16(4)5/h15-18H,6-14H2,1-5H3
InChIKeyHTRIEVJELDEUGI-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.25
Rot. Bonds12

About N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine

N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine (PubChem CID 102905484) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine
PubChem CID102905484
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine
SMILESCCCCCCCCCNCC(C(C)C)C(C)C
InChIInChI=1S/C17H37N/c1-6-7-8-9-10-11-12-13-18-14-17(15(2)3)16(4)5/h15-18H,6-14H2,1-5H3
InChIKeyHTRIEVJELDEUGI-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylbutyl)octan-1-amine
CID 64568463
2,3-dimethyl-N-pentylbutan-1-amine
CID 64570276
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
1-N,2-N-dioctylpropane-1,2-diamine
CID 139931025
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
1-(pentylamino)propan-2-ol
CID 3016247
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine (CID 102905484) is N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine is CCCCCCCCCNCC(C(C)C)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine?
The InChIKey is HTRIEVJELDEUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-6-7-8-9-10-11-12-13-18-14-17(15(2)3)16(4)5/h15-18H,6-14H2,1-5H3.
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine?
N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.25, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine is sourced from PubChem (CID 102905484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).