N'-(6-methylheptan-2-yl)propanimidamide

C11H24N2 — CID 63177540

IUPACN'-(6-methylheptan-2-yl)propanimidamide
SMILESCC/C(N)=N\C(C)CCCC(C)C
InChIInChI=1S/C11H24N2/c1-5-11(12)13-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3,(H2,12,13)
InChIKeyAZXMNGRVVKQIOQ-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.97
Rot. Bonds6

About N'-(6-methylheptan-2-yl)propanimidamide

N'-(6-methylheptan-2-yl)propanimidamide (PubChem CID 63177540) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-(6-methylheptan-2-yl)propanimidamide.

Molecular Properties

Compound NameN'-(6-methylheptan-2-yl)propanimidamide
PubChem CID63177540
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-(6-methylheptan-2-yl)propanimidamide
SMILESCC/C(N)=N\C(C)CCCC(C)C
InChIInChI=1S/C11H24N2/c1-5-11(12)13-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3,(H2,12,13)
InChIKeyAZXMNGRVVKQIOQ-UHFFFAOYSA-N
XLogP2.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide
CID 63177549
N'-octan-4-ylpropanimidamide
CID 106022229
ethane;2-(4-methylpentyl)guanidine
CID 170602256
2-[(2S)-pentan-2-yl]guanidine
CID 94416084
2-[5-(diethylamino)pentan-2-yl]guanidine
CID 62358805
2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide
CID 63924978
2,6-dimethylheptanethioamide
CID 54021693
4-methyl-N'-propan-2-ylpentanimidamide
CID 63181653
(2R)-2-isothiocyanato-6-methylheptane
CID 7160562
hydroxylamine;2-methylnonadecane
CID 87902402
5,9-dimethyldecan-3-ol
CID 545842
2-(1-aminopropylideneamino)butanamide
CID 131227217

Frequently Asked Questions

What is the IUPAC name of N'-(6-methylheptan-2-yl)propanimidamide?
The IUPAC name of N'-(6-methylheptan-2-yl)propanimidamide (CID 63177540) is N'-(6-methylheptan-2-yl)propanimidamide.
What is the SMILES notation for N'-(6-methylheptan-2-yl)propanimidamide?
The canonical SMILES for N'-(6-methylheptan-2-yl)propanimidamide is CC/C(N)=N\C(C)CCCC(C)C.
What is the InChIKey of N'-(6-methylheptan-2-yl)propanimidamide?
The InChIKey is AZXMNGRVVKQIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-5-11(12)13-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of N'-(6-methylheptan-2-yl)propanimidamide?
N'-(6-methylheptan-2-yl)propanimidamide has a molecular weight of 184.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methylheptan-2-yl)propanimidamide is sourced from PubChem (CID 63177540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).