N-ethyl-2-propan-2-ylheptan-1-amine

C12H27N — CID 62529144

IUPACN-ethyl-2-propan-2-ylheptan-1-amine
SMILESCCCCCC(CNCC)C(C)C
InChIInChI=1S/C12H27N/c1-5-7-8-9-12(11(3)4)10-13-6-2/h11-13H,5-10H2,1-4H3
InChIKeySIMYYJGQGSHNQX-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds8

About N-ethyl-2-propan-2-ylheptan-1-amine

N-ethyl-2-propan-2-ylheptan-1-amine (PubChem CID 62529144) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-ethyl-2-propan-2-ylheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-ylheptan-1-amine
PubChem CID62529144
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-ethyl-2-propan-2-ylheptan-1-amine
SMILESCCCCCC(CNCC)C(C)C
InChIInChI=1S/C12H27N/c1-5-7-8-9-12(11(3)4)10-13-6-2/h11-13H,5-10H2,1-4H3
InChIKeySIMYYJGQGSHNQX-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
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-ethyl-2-propan-2-yldodecan-1-amine
CID 63521323
2-propan-2-yl-N-propylheptan-1-amine
CID 63521498
2-(2-butoxyethyl)-N-ethyl-3-methylbutan-1-amine
CID 62530129
N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine
CID 63503515
8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol
CID 122598675
N-ethyl-5,5-dimethyl-2-propan-2-ylhexan-1-amine
CID 62528162
4-propan-2-yldecane
CID 15038736
N-(2-propan-2-yltetradecyl)cyclopropanamine
CID 63520975
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
1-(ethylamino)octan-2-ol
CID 62774096

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-ylheptan-1-amine?
The IUPAC name of N-ethyl-2-propan-2-ylheptan-1-amine (CID 62529144) is N-ethyl-2-propan-2-ylheptan-1-amine.
What is the SMILES notation for N-ethyl-2-propan-2-ylheptan-1-amine?
The canonical SMILES for N-ethyl-2-propan-2-ylheptan-1-amine is CCCCCC(CNCC)C(C)C.
What is the InChIKey of N-ethyl-2-propan-2-ylheptan-1-amine?
The InChIKey is SIMYYJGQGSHNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-7-8-9-12(11(3)4)10-13-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2-propan-2-ylheptan-1-amine?
N-ethyl-2-propan-2-ylheptan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-ylheptan-1-amine is sourced from PubChem (CID 62529144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).