N-tert-butyl-2-methylidenebut-3-en-1-amine

C9H17N — CID 123407105

IUPACN-tert-butyl-2-methylidenebut-3-en-1-amine
SMILESC=CC(=C)CNC(C)(C)C
InChIInChI=1S/C9H17N/c1-6-8(2)7-10-9(3,4)5/h6,10H,1-2,7H2,3-5H3
InChIKeyZWLAIKZAUSKRES-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.12
Rot. Bonds3

About N-tert-butyl-2-methylidenebut-3-en-1-amine

N-tert-butyl-2-methylidenebut-3-en-1-amine (PubChem CID 123407105) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-tert-butyl-2-methylidenebut-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methylidenebut-3-en-1-amine
PubChem CID123407105
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-tert-butyl-2-methylidenebut-3-en-1-amine
SMILESC=CC(=C)CNC(C)(C)C
InChIInChI=1S/C9H17N/c1-6-8(2)7-10-9(3,4)5/h6,10H,1-2,7H2,3-5H3
InChIKeyZWLAIKZAUSKRES-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-methylidenebut-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074318
6,6-dimethyl-3-methylidenehept-1-ene
CID 153290519
N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 103074530
5-(tert-butylamino)pent-1-en-3-one
CID 116557902
2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid
CID 79262862
2-methyl-5-methylidenehept-6-en-2-amine
CID 126489894
3-methylidenepent-1-ene
CID 18850
1,3-bis(tert-butylamino)propan-2-one;hydrochloride
CID 88754733
1-(tert-butylamino)-4-methylidenehexan-2-one
CID 116589016
tert-butyl-dimethyl-(2-methylidenebut-3-enoxy)silane
CID 10058581
N,3,3-trimethyl-5-methylidenehept-6-en-1-amine
CID 155576412
N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide
CID 115598615

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylidenebut-3-en-1-amine?
The IUPAC name of N-tert-butyl-2-methylidenebut-3-en-1-amine (CID 123407105) is N-tert-butyl-2-methylidenebut-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-methylidenebut-3-en-1-amine?
The canonical SMILES for N-tert-butyl-2-methylidenebut-3-en-1-amine is C=CC(=C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methylidenebut-3-en-1-amine?
The InChIKey is ZWLAIKZAUSKRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-6-8(2)7-10-9(3,4)5/h6,10H,1-2,7H2,3-5H3.
What are the key properties of N-tert-butyl-2-methylidenebut-3-en-1-amine?
N-tert-butyl-2-methylidenebut-3-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylidenebut-3-en-1-amine is sourced from PubChem (CID 123407105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).