N-ethyl-2-(2-methylpropyl)decan-1-amine

C16H35N — CID 55194495

IUPACN-ethyl-2-(2-methylpropyl)decan-1-amine
SMILESCCCCCCCCC(CNCC)CC(C)C
InChIInChI=1S/C16H35N/c1-5-7-8-9-10-11-12-16(13-15(3)4)14-17-6-2/h15-17H,5-14H2,1-4H3
InChIKeyQLDHCLGKVRMYLD-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.01
Rot. Bonds12

About N-ethyl-2-(2-methylpropyl)decan-1-amine

N-ethyl-2-(2-methylpropyl)decan-1-amine (PubChem CID 55194495) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpropyl)decan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpropyl)decan-1-amine
PubChem CID55194495
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-ethyl-2-(2-methylpropyl)decan-1-amine
SMILESCCCCCCCCC(CNCC)CC(C)C
InChIInChI=1S/C16H35N/c1-5-7-8-9-10-11-12-16(13-15(3)4)14-17-6-2/h15-17H,5-14H2,1-4H3
InChIKeyQLDHCLGKVRMYLD-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.01
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-methyl-2-(2-methylpropyl)nonan-1-amine
CID 63496028
N-ethyl-2-propylnonan-1-amine
CID 63498677
4-ethyl-2-methyldecane
CID 19893744
2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine
CID 141299280
N-[2-(2-methylpropyl)undecyl]cyclopropanamine
CID 63497802
4-(bromomethyl)-2-methylundecane
CID 66049402
2-(2-methylpropyl)undecan-1-ol
CID 66059386
4-(chloromethyl)-2-methyltridecane
CID 66035866
2-(2-methylpropyl)decan-1-amine
CID 63498111
1-(ethylamino)octan-2-ol
CID 62774096
3-ethyldodecane;bis(N-ethylethanamine)
CID 160952353
N,2-diethylhexan-1-amine
CID 14272988

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpropyl)decan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylpropyl)decan-1-amine (CID 55194495) is N-ethyl-2-(2-methylpropyl)decan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylpropyl)decan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylpropyl)decan-1-amine is CCCCCCCCC(CNCC)CC(C)C.
What is the InChIKey of N-ethyl-2-(2-methylpropyl)decan-1-amine?
The InChIKey is QLDHCLGKVRMYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-5-7-8-9-10-11-12-16(13-15(3)4)14-17-6-2/h15-17H,5-14H2,1-4H3.
What are the key properties of N-ethyl-2-(2-methylpropyl)decan-1-amine?
N-ethyl-2-(2-methylpropyl)decan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.01, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpropyl)decan-1-amine is sourced from PubChem (CID 55194495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).