ethane;3-methyl-N-propylbutan-1-amine

C10H25N — CID 142041555

IUPACethane;3-methyl-N-propylbutan-1-amine
SMILESCC.CCCNCCC(C)C
InChIInChI=1S/C8H19N.C2H6/c1-4-6-9-7-5-8(2)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyJMELSFNFYRZWBK-UHFFFAOYSA-N
MW159.32 g/mol
LogP3.06
Rot. Bonds5

About ethane;3-methyl-N-propylbutan-1-amine

ethane;3-methyl-N-propylbutan-1-amine (PubChem CID 142041555) has the molecular formula C10H25N and a molecular weight of 159.32 g/mol. Its IUPAC name is ethane;3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Nameethane;3-methyl-N-propylbutan-1-amine
PubChem CID142041555
Molecular FormulaC10H25N
Molecular Weight159.32 g/mol
Exact Mass159.20
IUPAC Nameethane;3-methyl-N-propylbutan-1-amine
SMILESCC.CCCNCCC(C)C
InChIInChI=1S/C8H19N.C2H6/c1-4-6-9-7-5-8(2)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyJMELSFNFYRZWBK-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.32
LogP ≤ 53.06
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

ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 55073718
N-(3-methylbutyl)heptan-1-amine
CID 22348867
N-ethylpropan-1-amine;2-methylpentane
CID 171506483
N-ethyl-3-methyl-N'-propylpentane-1,5-diamine
CID 163901497
(3S)-1-N-(3-methylbutyl)butane-1,3-diamine
CID 86664875
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594
N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide
CID 15951507
2-methyl-N-propylpropan-1-amine
CID 520943
5-bromo-N-(3-methylbutyl)pentan-1-amine
CID 107320246
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-propylbutan-1-amine?
The IUPAC name of ethane;3-methyl-N-propylbutan-1-amine (CID 142041555) is ethane;3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for ethane;3-methyl-N-propylbutan-1-amine?
The canonical SMILES for ethane;3-methyl-N-propylbutan-1-amine is CC.CCCNCCC(C)C.
What is the InChIKey of ethane;3-methyl-N-propylbutan-1-amine?
The InChIKey is JMELSFNFYRZWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H6/c1-4-6-9-7-5-8(2)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-N-propylbutan-1-amine?
ethane;3-methyl-N-propylbutan-1-amine has a molecular weight of 159.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 142041555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).