N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine

C8H17N — CID 142307207

IUPACN,2-dimethyl-N-propan-2-ylprop-1-en-1-amine
SMILESCC(C)=CN(C)C(C)C
InChIInChI=1S/C8H17N/c1-7(2)6-9(5)8(3)4/h6,8H,1-5H3
InChIKeyQAFLGVKBIUOXLB-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.25
Rot. Bonds2

About N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine

N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine (PubChem CID 142307207) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-propan-2-ylprop-1-en-1-amine
PubChem CID142307207
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,2-dimethyl-N-propan-2-ylprop-1-en-1-amine
SMILESCC(C)=CN(C)C(C)C
InChIInChI=1S/C8H17N/c1-7(2)6-9(5)8(3)4/h6,8H,1-5H3
InChIKeyQAFLGVKBIUOXLB-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methyl-N,N-bis(2-methylprop-1-enyl)prop-1-en-1-amine
CID 20138684
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CID 20487824
N,2-dimethyl-N-(2-methylprop-1-enyl)prop-1-en-1-amine
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2-methyl-N-propan-2-yl-N-propylprop-1-en-1-amine
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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine?
The IUPAC name of N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine (CID 142307207) is N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine is CC(C)=CN(C)C(C)C.
What is the InChIKey of N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine?
The InChIKey is QAFLGVKBIUOXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)6-9(5)8(3)4/h6,8H,1-5H3.
What are the key properties of N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine?
N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-propan-2-ylprop-1-en-1-amine is sourced from PubChem (CID 142307207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).