N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine

C15H33NO — CID 65049550

IUPACN-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
SMILESCCCCCCCCCNC(COC)C(C)C
InChIInChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-12-16-15(13-17-4)14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyZYTLWBFULOUQGY-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds12

About N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine

N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine (PubChem CID 65049550) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
PubChem CID65049550
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
SMILESCCCCCCCCCNC(COC)C(C)C
InChIInChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-12-16-15(13-17-4)14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyZYTLWBFULOUQGY-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.00
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,N'-bis(1-butoxy-3-methylbutan-2-yl)butane-1,4-diamine
CID 89076193
N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine
CID 81339100
N-(1-methoxypropan-2-yl)nonan-1-amine
CID 43129186
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
2-N-dodecyl-3-methylbutane-1,2-diamine
CID 106345395
3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641
N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine
CID 106180457
2-(decylamino)-3-methoxypropan-1-ol
CID 114155671
1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
CID 65049227
N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
CID 80694202
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine (CID 65049550) is N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine is CCCCCCCCCNC(COC)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine?
The InChIKey is ZYTLWBFULOUQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-12-16-15(13-17-4)14(2)3/h14-16H,5-13H2,1-4H3.
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine?
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 4.00, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine is sourced from PubChem (CID 65049550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).