N-tert-butylpent-1-yn-3-amine

C9H17N — CID 130264656

IUPACN-tert-butylpent-1-yn-3-amine
SMILESC#CC(CC)NC(C)(C)C
InChIInChI=1S/C9H17N/c1-6-8(7-2)10-9(3,4)5/h1,8,10H,7H2,2-5H3
InChIKeyRHMXJDSFZIOUOY-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.79
Rot. Bonds2

About N-tert-butylpent-1-yn-3-amine

N-tert-butylpent-1-yn-3-amine (PubChem CID 130264656) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-tert-butylpent-1-yn-3-amine.

Molecular Properties

Compound NameN-tert-butylpent-1-yn-3-amine
PubChem CID130264656
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-tert-butylpent-1-yn-3-amine
SMILESC#CC(CC)NC(C)(C)C
InChIInChI=1S/C9H17N/c1-6-8(7-2)10-9(3,4)5/h1,8,10H,7H2,2-5H3
InChIKeyRHMXJDSFZIOUOY-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-pent-1-yn-3-ylbutanamide
CID 103578952
1-N,1-N'-ditert-butylpropane-1,1-diamine
CID 134169059
tert-butyl N-[(3S)-pent-1-yn-3-yl]carbamate
CID 58241875
N-butylpent-1-yn-3-amine
CID 57076598
N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106226213
3,3-dimethyl-5-oxo-5-(pent-1-yn-3-ylamino)pentanoic acid
CID 106223896
N-[(4-tert-butylcyclohexyl)methyl]pent-1-yn-3-amine
CID 114160546
1-N,2-N-ditert-butylbutane-1,2-diamine
CID 58903016
N-pent-1-yn-3-ylheptan-3-amine
CID 106224922
N-pent-1-yn-3-ylheptan-1-amine
CID 106224467
5-methyl-N-pent-1-yn-3-ylheptan-3-amine
CID 106225174
3,3,3-trifluoro-N-pent-1-yn-3-yl-2-(trifluoromethyl)propanamide
CID 106227765

Frequently Asked Questions

What is the IUPAC name of N-tert-butylpent-1-yn-3-amine?
The IUPAC name of N-tert-butylpent-1-yn-3-amine (CID 130264656) is N-tert-butylpent-1-yn-3-amine.
What is the SMILES notation for N-tert-butylpent-1-yn-3-amine?
The canonical SMILES for N-tert-butylpent-1-yn-3-amine is C#CC(CC)NC(C)(C)C.
What is the InChIKey of N-tert-butylpent-1-yn-3-amine?
The InChIKey is RHMXJDSFZIOUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-6-8(7-2)10-9(3,4)5/h1,8,10H,7H2,2-5H3.
What are the key properties of N-tert-butylpent-1-yn-3-amine?
N-tert-butylpent-1-yn-3-amine has a molecular weight of 139.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpent-1-yn-3-amine is sourced from PubChem (CID 130264656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).