2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine

C16H35NO — CID 156646021

IUPAC2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine
SMILESCC(C)C.CCC/C=C(/NC(C)C)OC(C)(C)C
InChIInChI=1S/C12H25NO.C4H10/c1-7-8-9-11(13-10(2)3)14-12(4,5)6;1-4(2)3/h9-10,13H,7-8H2,1-6H3;4H,1-3H3/b11-9-;
InChIKeyCZJFQMVMQZIGMO-KSIDEHCFSA-N
MW257.46 g/mol
LogP5.10
Rot. Bonds5

About 2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine

2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine (PubChem CID 156646021) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine.

Molecular Properties

Compound Name2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine
PubChem CID156646021
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine
SMILESCC(C)C.CCC/C=C(/NC(C)C)OC(C)(C)C
InChIInChI=1S/C12H25NO.C4H10/c1-7-8-9-11(13-10(2)3)14-12(4,5)6;1-4(2)3/h9-10,13H,7-8H2,1-6H3;4H,1-3H3/b11-9-;
InChIKeyCZJFQMVMQZIGMO-KSIDEHCFSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N'-di(propan-2-yl)pent-1-ene-1,1-diamine
CID 139931013
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 14370745
tert-butyl (2R)-2-(nonanoylamino)propanoate
CID 81004296
tert-butyl N-[1-(heptan-2-ylamino)-1-oxopropan-2-yl]carbamate
CID 60730983
pent-1-ene-1,1-diol
CID 21473005
tert-butyl N-[(2S)-1-hydroxy-3-oxooctadecan-2-yl]carbamate
CID 11338535
tert-butyl N-[(E,3S)-2-methyl-4-oxononadec-5-en-3-yl]carbamate
CID 58517092
tert-butyl 2-(heptan-2-ylamino)acetate
CID 60680829
tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate
CID 62198577
2-propan-2-yloxyhex-2-ene
CID 123193761
tert-butyl N-[(2S)-3-oxohexan-2-yl]carbamate
CID 75406864

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine?
The IUPAC name of 2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine (CID 156646021) is 2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine.
What is the SMILES notation for 2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine?
The canonical SMILES for 2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine is CC(C)C.CCC/C=C(/NC(C)C)OC(C)(C)C.
What is the InChIKey of 2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine?
The InChIKey is CZJFQMVMQZIGMO-KSIDEHCFSA-N. The full InChI is InChI=1S/C12H25NO.C4H10/c1-7-8-9-11(13-10(2)3)14-12(4,5)6;1-4(2)3/h9-10,13H,7-8H2,1-6H3;4H,1-3H3/b11-9-;.
What are the key properties of 2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine?
2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine has a molecular weight of 257.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;(Z)-1-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpent-1-en-1-amine is sourced from PubChem (CID 156646021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).