N-pentyl-N-propan-2-ylethanimidamide

C10H22N2 — CID 63173308

IUPACN-pentyl-N-propan-2-ylethanimidamide
SMILES[H]/N=C(\C)N(CCCCC)C(C)C
InChIInChI=1S/C10H22N2/c1-5-6-7-8-12(9(2)3)10(4)11/h9,11H,5-8H2,1-4H3/b11-10+
InChIKeyKPFKANODOZGAHR-ZHACJKMWSA-N
MW170.30 g/mol
LogP2.88
Rot. Bonds5

About N-pentyl-N-propan-2-ylethanimidamide

N-pentyl-N-propan-2-ylethanimidamide (PubChem CID 63173308) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-pentyl-N-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN-pentyl-N-propan-2-ylethanimidamide
PubChem CID63173308
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-pentyl-N-propan-2-ylethanimidamide
SMILES[H]/N=C(\C)N(CCCCC)C(C)C
InChIInChI=1S/C10H22N2/c1-5-6-7-8-12(9(2)3)10(4)11/h9,11H,5-8H2,1-4H3/b11-10+
InChIKeyKPFKANODOZGAHR-ZHACJKMWSA-N
XLogP2.88
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-N-pentyl-N-propan-2-ylbutanamide
CID 60952085
N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide
CID 123699210
octadecyl(propan-2-yl)carbamothioic S-acid
CID 87780649
cadmium(2+);bis(N-dodecyl-N-propan-2-ylcarbamodithioate)
CID 160525594
3-ethyl-1-pentyl-1-propan-2-ylthiourea
CID 115594194
2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 65258572
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-butan-2-yl-N-butylpropanimidamide
CID 63177436
1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea
CID 116654960
1-dodecyl-1-pentylguanidine
CID 88762865
1,1-didodecylguanidine
CID 23103902
butyl(propan-2-yl)carbamic acid
CID 87287717

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-propan-2-ylethanimidamide?
The IUPAC name of N-pentyl-N-propan-2-ylethanimidamide (CID 63173308) is N-pentyl-N-propan-2-ylethanimidamide.
What is the SMILES notation for N-pentyl-N-propan-2-ylethanimidamide?
The canonical SMILES for N-pentyl-N-propan-2-ylethanimidamide is [H]/N=C(\C)N(CCCCC)C(C)C.
What is the InChIKey of N-pentyl-N-propan-2-ylethanimidamide?
The InChIKey is KPFKANODOZGAHR-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-6-7-8-12(9(2)3)10(4)11/h9,11H,5-8H2,1-4H3/b11-10+.
What are the key properties of N-pentyl-N-propan-2-ylethanimidamide?
N-pentyl-N-propan-2-ylethanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-propan-2-ylethanimidamide is sourced from PubChem (CID 63173308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).