N-tert-butyl-4-methylideneheptan-3-amine

C12H25N — CID 166838198

IUPACN-tert-butyl-4-methylideneheptan-3-amine
SMILESC=C(CCC)C(CC)NC(C)(C)C
InChIInChI=1S/C12H25N/c1-7-9-10(3)11(8-2)13-12(4,5)6/h11,13H,3,7-9H2,1-2,4-6H3
InChIKeyHEPXUYIYNSMKTP-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.51
Rot. Bonds5

About N-tert-butyl-4-methylideneheptan-3-amine

N-tert-butyl-4-methylideneheptan-3-amine (PubChem CID 166838198) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-tert-butyl-4-methylideneheptan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methylideneheptan-3-amine
PubChem CID166838198
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-tert-butyl-4-methylideneheptan-3-amine
SMILESC=C(CCC)C(CC)NC(C)(C)C
InChIInChI=1S/C12H25N/c1-7-9-10(3)11(8-2)13-12(4,5)6/h11,13H,3,7-9H2,1-2,4-6H3
InChIKeyHEPXUYIYNSMKTP-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-methylideneheptan-3-amine
CID 166854127
3-(tert-butylamino)pentan-2-one
CID 123205051
1-N,1-N'-ditert-butylpropane-1,1-diamine
CID 134169059
1-(4-methylidenedecan-3-yl)-2-propan-2-ylhydrazine
CID 89230062
3-(tert-butylamino)-1-propan-2-yloxypentan-2-one
CID 134460862
1-iodo-2-methylidenepentan-1-ol
CID 90371441
2,3-dimethyl-4-methylideneheptane
CID 123725003
(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione
CID 140940119
(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one
CID 89135586
N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine
CID 155468081
2,3,4-trimethyl-5-methylideneoct-1-ene
CID 91393907
4-chloro-5-methylideneoctane
CID 56986746

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylideneheptan-3-amine?
The IUPAC name of N-tert-butyl-4-methylideneheptan-3-amine (CID 166838198) is N-tert-butyl-4-methylideneheptan-3-amine.
What is the SMILES notation for N-tert-butyl-4-methylideneheptan-3-amine?
The canonical SMILES for N-tert-butyl-4-methylideneheptan-3-amine is C=C(CCC)C(CC)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methylideneheptan-3-amine?
The InChIKey is HEPXUYIYNSMKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-7-9-10(3)11(8-2)13-12(4,5)6/h11,13H,3,7-9H2,1-2,4-6H3.
What are the key properties of N-tert-butyl-4-methylideneheptan-3-amine?
N-tert-butyl-4-methylideneheptan-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylideneheptan-3-amine is sourced from PubChem (CID 166838198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).