3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine

C17H39NO — CID 157036014

IUPAC3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CCCNC(C)C.CC(C)CCOC(C)C
InChIInChI=1S/C9H21N.C8H18O/c1-8(2)6-5-7-10-9(3)4;1-7(2)5-6-9-8(3)4/h8-10H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyDYHPMFAOJKJFCC-UHFFFAOYSA-N
MW273.50 g/mol
LogP4.88
Rot. Bonds9

About 3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine

3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 157036014) has the molecular formula C17H39NO and a molecular weight of 273.50 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine
PubChem CID157036014
Molecular FormulaC17H39NO
Molecular Weight273.50 g/mol
Exact Mass273.30
IUPAC Name3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CCCNC(C)C.CC(C)CCOC(C)C
InChIInChI=1S/C9H21N.C8H18O/c1-8(2)6-5-7-10-9(3)4;1-7(2)5-6-9-8(3)4/h8-10H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyDYHPMFAOJKJFCC-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
CID 159368359
N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine
CID 81068386
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
4-methylpentyl 4-(propan-2-ylamino)butanoate
CID 61304079
3-methyl-1-propan-2-yloxybutane;propane-1,2-diol
CID 88620872
2,8-dimethylnonane;1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157236499
4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
CID 55073668
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 171507882

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine (CID 157036014) is 3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine is CC(C)CCCNC(C)C.CC(C)CCOC(C)C.
What is the InChIKey of 3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is DYHPMFAOJKJFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C8H18O/c1-8(2)6-5-7-10-9(3)4;1-7(2)5-6-9-8(3)4/h8-10H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3.
What are the key properties of 3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine?
3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 273.50 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 157036014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).