N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine

C15H31N — CID 130205278

IUPACN,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine
SMILESC/C=C\N(C)C(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H31N/c1-9-10-16(8)13(2)11-15(6,7)12-14(3,4)5/h9-10,13H,11-12H2,1-8H3/b10-9-
InChIKeyQGJZJJNBKGDERK-KTKRTIGZSA-N
MW225.42 g/mol
LogP4.69
Rot. Bonds5

About N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine

N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine (PubChem CID 130205278) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine.

Molecular Properties

Compound NameN,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine
PubChem CID130205278
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine
SMILESC/C=C\N(C)C(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H31N/c1-9-10-16(8)13(2)11-15(6,7)12-14(3,4)5/h9-10,13H,11-12H2,1-8H3/b10-9-
InChIKeyQGJZJJNBKGDERK-KTKRTIGZSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine?
The IUPAC name of N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine (CID 130205278) is N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine.
What is the SMILES notation for N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine?
The canonical SMILES for N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine is C/C=C\N(C)C(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine?
The InChIKey is QGJZJJNBKGDERK-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H31N/c1-9-10-16(8)13(2)11-15(6,7)12-14(3,4)5/h9-10,13H,11-12H2,1-8H3/b10-9-.
What are the key properties of N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine?
N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine is sourced from PubChem (CID 130205278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).