butane;3-methyloctane;bis(propan-1-amine)

C19H48N2 — CID 169237271

IUPACbutane;3-methyloctane;bis(propan-1-amine)
SMILESCCCC.CCCCCC(C)CC.CCCN.CCCN
InChIInChI=1S/C9H20.C4H10.2C3H9N/c1-4-6-7-8-9(3)5-2;1-3-4-2;2*1-2-3-4/h9H,4-8H2,1-3H3;3-4H2,1-2H3;2*2-4H2,1H3
InChIKeyCKRSKXJLKSFTBP-UHFFFAOYSA-N
MW304.61 g/mol
LogP6.13
Rot. Bonds8

About butane;3-methyloctane;bis(propan-1-amine)

butane;3-methyloctane;bis(propan-1-amine) (PubChem CID 169237271) has the molecular formula C19H48N2 and a molecular weight of 304.61 g/mol. Its IUPAC name is butane;3-methyloctane;bis(propan-1-amine).

Molecular Properties

Compound Namebutane;3-methyloctane;bis(propan-1-amine)
PubChem CID169237271
Molecular FormulaC19H48N2
Molecular Weight304.61 g/mol
Exact Mass304.38
IUPAC Namebutane;3-methyloctane;bis(propan-1-amine)
SMILESCCCC.CCCCCC(C)CC.CCCN.CCCN
InChIInChI=1S/C9H20.C4H10.2C3H9N/c1-4-6-7-8-9(3)5-2;1-3-4-2;2*1-2-3-4/h9H,4-8H2,1-3H3;3-4H2,1-2H3;2*2-4H2,1H3
InChIKeyCKRSKXJLKSFTBP-UHFFFAOYSA-N
XLogP6.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.61
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
magnesium;3-methyloctane;dibromide
CID 174825221
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
methane;3-methyltridecane
CID 161019087

Frequently Asked Questions

What is the IUPAC name of butane;3-methyloctane;bis(propan-1-amine)?
The IUPAC name of butane;3-methyloctane;bis(propan-1-amine) (CID 169237271) is butane;3-methyloctane;bis(propan-1-amine).
What is the SMILES notation for butane;3-methyloctane;bis(propan-1-amine)?
The canonical SMILES for butane;3-methyloctane;bis(propan-1-amine) is CCCC.CCCCCC(C)CC.CCCN.CCCN.
What is the InChIKey of butane;3-methyloctane;bis(propan-1-amine)?
The InChIKey is CKRSKXJLKSFTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C4H10.2C3H9N/c1-4-6-7-8-9(3)5-2;1-3-4-2;2*1-2-3-4/h9H,4-8H2,1-3H3;3-4H2,1-2H3;2*2-4H2,1H3.
What are the key properties of butane;3-methyloctane;bis(propan-1-amine)?
butane;3-methyloctane;bis(propan-1-amine) has a molecular weight of 304.61 g/mol, XLogP of 6.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-methyloctane;bis(propan-1-amine) is sourced from PubChem (CID 169237271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).